Dear all, thanks for help! I'm using Refmac without TLS. Tim's explanation is pretty convincing to me. My data have no ice rings compromising the extimation of I, but the map, is more defined then I expect at 3 A resolution, so a "low" average B seems consistent. Which can be other causes for limited resolution? Anna
Il giorno 05 marzo 2012 16:56, H. Raaijmakers <[email protected]> ha scritto: > Anna, > > Did you use TLS refinement, and are looking at the residual B? > then use tlsanl to add the tls contribution. > > cheers, > > Hans > > anna anna schreef: > > Dear all, I hope you can help me! > > I solved a structure at 3.0 A res and everything is quite satisfactory, > my > > only concern is the discrepancy between > > the B factor from Wilson plot (58.8 A^2) and the average B (36.9). It > > seems > > strange, usually the opposite occurs... > > What does it mean? Which may be the reason? What can I check? > > Some details: > > Rmerge: 15.0 (51.8) > > I/รณ(I): 7.30 (1.84) > > 5 monomers/AU > > R/Rfree: 19.7/23.3 > > ...ask for other infoes if you need. > > > > Any advice/suggestion is welcome!! > > > > >
